2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one

C20H20FN3O2 — CID 139028221

IUPAC2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCc1nc2ccccc2n1C1CN(C(=O)C(C)Oc2ccccc2F)C1
InChIInChI=1S/C20H20FN3O2/c1-13(26-19-10-6-3-7-16(19)21)20(25)23-11-15(12-23)24-14(2)22-17-8-4-5-9-18(17)24/h3-10,13,15H,11-12H2,1-2H3
InChIKeyCRHXWHARMUEWGE-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one

2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 139028221) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
PubChem CID139028221
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCc1nc2ccccc2n1C1CN(C(=O)C(C)Oc2ccccc2F)C1
InChIInChI=1S/C20H20FN3O2/c1-13(26-19-10-6-3-7-16(19)21)20(25)23-11-15(12-23)24-14(2)22-17-8-4-5-9-18(17)24/h3-10,13,15H,11-12H2,1-2H3
InChIKeyCRHXWHARMUEWGE-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenoxy)-1-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]propan-1-one
CID 129417576
2-(2-fluorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680505
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 75494329
(2S)-2-ethoxy-1-[3-(2-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 126438416
1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356873
(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712835
(2R,4R)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000234
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
CID 126855131
(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one
CID 2184927
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone
CID 139028278

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one (CID 139028221) is 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one is Cc1nc2ccccc2n1C1CN(C(=O)C(C)Oc2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is CRHXWHARMUEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(26-19-10-6-3-7-16(19)21)20(25)23-11-15(12-23)24-14(2)22-17-8-4-5-9-18(17)24/h3-10,13,15H,11-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one?
2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 353.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 139028221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).